# generated using pymatgen data_Mg4Cu2B6Ir11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90627519 _cell_length_b 8.62059394 _cell_length_c 11.32017967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Cu2B6Ir11 _chemical_formula_sum 'Mg4 Cu2 B6 Ir11' _cell_volume 283.61372431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.50000000 0.50089539 0.00000000 1.0 Mg Mg1 1 0.50000000 0.35599669 0.50000000 1.0 Mg Mg2 1 0.50000000 0.99668108 0.20781686 1.0 Mg Mg3 1 0.50000000 0.99668108 0.79218314 1.0 Cu Cu4 1 0.50000000 0.00278378 0.50000000 1.0 Cu Cu5 1 0.50000000 0.64146396 0.50000000 1.0 B B6 1 0.50000000 0.80808964 0.00000000 1.0 B B7 1 0.50000000 0.19169203 0.00000000 1.0 B B8 1 0.50000000 0.68908554 0.27748004 1.0 B B9 1 0.50000000 0.31239616 0.27308127 1.0 B B10 1 0.50000000 0.31239616 0.72691873 1.0 B B11 1 0.50000000 0.68908554 0.72251996 1.0 Ir Ir12 1 0.00000000 0.00116505 0.00000000 1.0 Ir Ir13 1 0.00000000 0.49899692 0.31226470 1.0 Ir Ir14 1 0.00000000 0.49899692 0.68773530 1.0 Ir Ir15 1 0.00000000 0.72321246 0.12689179 1.0 Ir Ir16 1 0.00000000 0.28013328 0.12548225 1.0 Ir Ir17 1 0.00000000 0.28013328 0.87451775 1.0 Ir Ir18 1 0.00000000 0.72321246 0.87310821 1.0 Ir Ir19 1 0.00000000 0.82589746 0.36516923 1.0 Ir Ir20 1 0.00000000 0.17255434 0.35938697 1.0 Ir Ir21 1 0.00000000 0.17255434 0.64061303 1.0 Ir Ir22 1 0.00000000 0.82589746 0.63483077 1.0